2,2,3,3-tetrafluoro-N-(1-methoxypropan-2-yl)-N-methylpropanamide

C8H13F4NO2 — CID 103732965

IUPAC2,2,3,3-tetrafluoro-N-(1-methoxypropan-2-yl)-N-methylpropanamide
SMILESCOCC(C)N(C)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO2/c1-5(4-15-3)13(2)7(14)8(11,12)6(9)10/h5-6H,4H2,1-3H3
InChIKeyWYLDEIUPZFXKEO-UHFFFAOYSA-N
MW231.19 g/mol
LogP1.38
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-(1-methoxypropan-2-yl)-N-methylpropanamide

2,2,3,3-tetrafluoro-N-(1-methoxypropan-2-yl)-N-methylpropanamide (PubChem CID 103732965) has the molecular formula C8H13F4NO2 and a molecular weight of 231.19 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(1-methoxypropan-2-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(1-methoxypropan-2-yl)-N-methylpropanamide
PubChem CID103732965
Molecular FormulaC8H13F4NO2
Molecular Weight231.19 g/mol
Exact Mass231.09
IUPAC Name2,2,3,3-tetrafluoro-N-(1-methoxypropan-2-yl)-N-methylpropanamide
SMILESCOCC(C)N(C)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO2/c1-5(4-15-3)13(2)7(14)8(11,12)6(9)10/h5-6H,4H2,1-3H3
InChIKeyWYLDEIUPZFXKEO-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(1-methoxypropan-2-yl)-N-methylpropanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(1-methoxypropan-2-yl)-N-methylpropanamide (CID 103732965) is 2,2,3,3-tetrafluoro-N-(1-methoxypropan-2-yl)-N-methylpropanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(1-methoxypropan-2-yl)-N-methylpropanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(1-methoxypropan-2-yl)-N-methylpropanamide is COCC(C)N(C)C(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(1-methoxypropan-2-yl)-N-methylpropanamide?
The InChIKey is WYLDEIUPZFXKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO2/c1-5(4-15-3)13(2)7(14)8(11,12)6(9)10/h5-6H,4H2,1-3H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-(1-methoxypropan-2-yl)-N-methylpropanamide?
2,2,3,3-tetrafluoro-N-(1-methoxypropan-2-yl)-N-methylpropanamide has a molecular weight of 231.19 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(1-methoxypropan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 103732965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).